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SMILES: CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1

InChI Key: InChIKey=GREZYWHAPQLZSP-ODLFYWEKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 454331   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxidized low-density lipoprotein receptor 1


(Bovine)
BDBM454331
PNG
(US10717734, Compound 7)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C24H31FN4O4S2/c1-17-22(14-18-7-6-8-20(13-18)34(30,31)27(2)3)23-15-21(35(32,33)28(4)5)9-10-24(23)29(17)16-19(25)11-12-26/h6-11,13,15H,12,14,16,26H2,1-5H3/b19-11-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454331
PNG
(US10717734, Compound 7)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C24H31FN4O4S2/c1-17-22(14-18-7-6-8-20(13-18)34(30,31)27(2)3)23-15-21(35(32,33)28(4)5)9-10-24(23)29(17)16-19(25)11-12-26/h6-11,13,15H,12,14,16,26H2,1-5H3/b19-11-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454331
PNG
(US10717734, Compound 7)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C24H31FN4O4S2/c1-17-22(14-18-7-6-8-20(13-18)34(30,31)27(2)3)23-15-21(35(32,33)28(4)5)9-10-24(23)29(17)16-19(25)11-12-26/h6-11,13,15H,12,14,16,26H2,1-5H3/b19-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM454331
PNG
(US10717734, Compound 7)
Show SMILES CN(C)S(=O)(=O)c1cccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(cc23)S(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C24H31FN4O4S2/c1-17-22(14-18-7-6-8-20(13-18)34(30,31)27(2)3)23-15-21(35(32,33)28(4)5)9-10-24(23)29(17)16-19(25)11-12-26/h6-11,13,15H,12,14,16,26H2,1-5H3/b19-11-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair